--- COMMANDS: 1 no_action 2 SET 3 STOP 4 LABEL 5 GO_TO 6 DEFINE_INTEGER 7 DEFINE_REAL 8 END_DO 9 DO 10 CALL 11 RESET 12 WRITE 13 OPERATE 14 STRING_OPERATE 15 DEFINE_STRING 16 DEFINE_LOGICAL 17 SUBROUTINE 18 END_SUBROUTINE 19 INCLUDE 20 RETURN 21 READ 22 OPEN 23 CLOSE 24 IF 25 WRITE_TOP 26 SYSTEM 27 INQUIRE 28 STRING_IF 31 HIST2D 32 PLOT2D 33 READ_TABLE 34 RESET_CAPTIONS 35 WORLD 36 READ_DPLOT 37 SET_BLINES 38 LINE2D 39 PRINT 40 NEW_PAGE 41 ARROW 42 POSTSCRIPT 43 TRANSFORM 44 AXES2D 45 CAPTION 46 DPLOT 47 GET_BARS 48 READ_PDB 49 BALL_STICK 50 LABEL_ATOMS 51 MAKE_BONDS 52 DEFAULT_ATOM_COLOR 53 FIT 54 CENTER_MOL 55 SHUFFLE_DPLOT 56 ROTATE_MOL 57 ROTATE_MOL_AXIS 58 TRANSLATE_MOL 59 WRITE_TABLE 60 RESET_LEGEND 61 LEGEND 62 PLOT_ERROR_BARS 63 SELECT_DATA 64 WRITE_PDB 65 SPECTRUM 66 SWITCH_PS 67 SMOOTH_TABLE 68 TRANSLATE_TABLE 69 GET_DENSITY 70 WRITE_DPLOT 71 SELECT_ATOMS 72 FIT2 73 DENSITY_TO_XY 74 XY_TO_DENSITY 75 SET_RECORD --- KEYWORDS: 1 REAL ARGUMENTS 0 0.00 # real arguments to the math operation 31 REAL PAPER_WINDOW 5 7.0 15.8 17.0 23.0 0.0 32 REAL WORLD_WINDOW 4 -999. -999. -999. -999. 33 REAL X_TICK 0 -999. -999. -999. 34 REAL Y_TICK 0 -999. -999. -999. 35 REAL ARROW_SHAPE 3 0.002 0.012 0.036 36 REAL BAR_GRAYNESS 0 0.7 37 REAL BAR_WIDTH 1 1.0 38 REAL DPLOT_GRAYNESS 2 1.0 0.0 39 REAL DPLOT_BOUNDS 2 -999. -999. 40 REAL TRF_PARAMETERS 0 0.0 1.0 41 REAL PRINT_XY 2 1.0 1.0 42 REAL PRINT_ANGLE 1 0.0 43 REAL LINE2D_XY1 2 0.0 0.0 44 REAL LINE2D_XY2 2 0.0 0.0 45 REAL LINE2D_GRAYNESS 1 0.0 46 REAL LINE2D_WIDTH 1 1.0 47 REAL RADIUS_FACTOR 1 0.150 48 REAL BOND_WIDTH_FACTOR 1 0.350 49 REAL EYE_TO_SCREEN 1 30.0 50 REAL SCREEN_TO_TOP 1 0.0 51 REAL RADIUS 1 1.5 52 REAL COVALENT_BOND 2 -999 -999 53 REAL ROTATION_MATRIX 9 1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0 54 REAL AXIS 3 0.0 1.0 0.0 55 REAL DEGREES 1 6.0 56 REAL SHIFT 3 30.0 0.0 0.0 57 REAL CAPTION_XLEFT 1 -0.15 58 REAL BAR_DX 1 1.0 59 REAL BAR_XSHIFT 1 0.0 60 REAL SPHERE_RADIUS 1 10.0 61 REAL SELECT_RANGE 2 1 1 62 REAL TRANSLATION 1 0 63 REAL BAR_DY 1 1 64 REAL DPLOT_FILL 1 0 65 REAL CAPTION_XRIGHT 1 1.05 66 REAL ARROW_POSITION 4 0 0 1 1 67 REAL X_LABEL_SHIFT 1 0 68 REAL Y_LABEL_SHIFT 1 0 69 REAL SLAB 5 9999 9999 0 0 0 70 REAL BOND_TAPER 1 0.3 71 REAL X_AXIS_FACTOR 1 1 72 REAL Y_AXIS_FACTOR 1 1 73 REAL BOND_COLOR 1 1.0 74 REAL ATOM_COLOR 1 1.0 75 REAL FIT_PARAM_INITIAL 0 1 1 1 1 1 1 1 1 1 1 76 REAL FIT_CUTOFFS 2 0.0001 0.0001 77 REAL TRF_UNDEFINED 1 -999999 78 REAL PRINT_DXY 2 0 0 79 REAL STAMP_SIZE 1 8 80 REAL WORLD_FRACTION 1 -999 81 REAL COLOR_RANGE 2 -999 -999 1 INTEGER IO_UNIT 1 21 # IO unit for file operations 2 INTEGER ID1 1 1 # ID1 for filename construction 3 INTEGER ID2 1 1 # ID2 for filename construction 4 INTEGER NUMBER_PLACES 2 5 2 # pre- and post-decimal point places 5 INTEGER FILE_EXISTS 1 0 # an output flag: 0 | 1 6 INTEGER OUTPUT_CONTROL 4 1 1 0 1 # selects output, flow-control msgs, warnings, errors 7 INTEGER STOP_ON_ERROR 1 1 # whether to stop on error 31 INTEGER X_LABEL_STYLE 1 2 32 INTEGER Y_LABEL_STYLE 1 2 33 INTEGER X_TICK_DECIMALS 1 -999 34 INTEGER Y_TICK_DECIMALS 1 -999 35 INTEGER PLOT2D_SYMBOL_TYPE 1 0 36 INTEGER PLOT2D_LINE_TYPE 1 1 37 INTEGER XY_COLUMNS 2 1 2 38 INTEGER BAR_LINE_TYPE 1 2 39 INTEGER DPLOT_LINE_TYPE 1 3 40 INTEGER ERROR_COLUMN 1 0 41 INTEGER X_TICK_LABEL 2 -999 -999 42 INTEGER Y_TICK_LABEL 2 -999 -999 43 INTEGER NO_SPLINE_POINTS 1 400 44 INTEGER POSITION 2 0 1 45 INTEGER NO_COPIES 1 1 46 INTEGER NO_XY_SCOLUMNS 2 0 0 47 INTEGER XY_SCOLUMNS 0 48 INTEGER TICK_FONT 1 3 49 INTEGER POINT_FONT 1 6 50 INTEGER CAPTION_FONT 1 3 51 INTEGER CAPTION_POSITION 1 1 52 INTEGER PRINT_FONT 1 4 53 INTEGER PRINT_HORIZ 1 2 54 INTEGER PRINT_VERT 1 2 55 INTEGER BAR_LEGEND_PLACES 2 7 1 56 INTEGER LABEL_LOCATION 1 2 57 INTEGER LABEL_FONT 1 6 58 INTEGER LABEL_COLUMN 1 0 59 INTEGER POINT_MODULUS 1 1 60 INTEGER SELECT_COLUMN 1 1 61 INTEGER PLOT_POINTS 1 0 62 INTEGER HALF_WINDOW 1 3 63 INTEGER DESCRIPTION_FONT 1 5 64 INTEGER DPLOT_COLUMN 1 1 65 INTEGER SELECTION_STEP 1 1 66 INTEGER BOND_LINE 1 2 67 INTEGER ATOM_LINE 1 2 68 INTEGER FIT_PARAM_INDICES 0 1 2 69 INTEGER PRINT_POINT 1 1 70 INTEGER LINE2D_LINE_TYPE 1 0 71 INTEGER ROW_RANGE 2 0 0 72 INTEGER AXES2D_LINE_TYPE 1 2 73 INTEGER TICK_LINE_TYPE 1 2 74 INTEGER TICK_SMALL_LINE_TYPE 1 3 75 INTEGER LEGEND_POSITION 1 7 76 INTEGER COLOR_COLUMN 1 0 1 STRING OBJECTS 0 '' # variable names or constants 2 STRING VARIABLES 0 '' # variable names 3 STRING ROUTINE 0 '' # subroutine name 4 STRING ROOT_NAME 1 'undf' # root of a filename for filename construction 5 STRING DIRECTORY 1 '' # directory list 6 STRING FILE_ID 1 'default' # file id for filename construction 7 STRING OPERATION 1 'SUM' # operation to perform: \V{SUM} | \V{MULTIPLY} | \V{DIVIDE} | \V{POWER} | \V{MOD} 8 STRING RESULT 0 '' # variable name for the result of operation 9 STRING STRING_ARGUMENTS 0 '' # arguments for string operation 10 STRING OBJECTS_FILE 1 'top.out' # filename 11 STRING INCLUDE_FILE 1 '__asgl' # include file name 12 STRING FILE 1 'counter' # partial or complete filename 13 STRING RECORD 1 'undefined' # contents of the input line 14 STRING THEN 1 'undefined' # statement when IF evaluates to T 15 STRING ELSE 1 'undefined' # statement when IF evaluates to F 16 STRING COMMAND 1 'nothing' # UNIX command 17 STRING FILE_EXT 1 '' # file extension for filename construction 18 STRING OUTPUT_DIRECTORY 1 '' # output directory 19 STRING FILE_ACCESS 1 'SEQUENTIAL' # file access: \V{SEQUENTIAL} | \V{APPEND} 20 STRING FILE_STATUS 1 'UNKNOWN' # file status: \V{UNKNOWN} | \V{OLD} | \V{NEW} 31 STRING SMOOTH_TYPE 1 'SPLINE' # (SPLINE AVERAGE) 32 STRING DPLOT_PART 1 'FULL' # (LOWER, FULL) 33 STRING DPLOT_STYLE 1 'GRAY' # (GRAY BLACK) 34 STRING X_LABELS 0 '' 35 STRING SELECTION_MODE 1 'ATOM' # RESIDUE | ATOM 36 STRING TRF_TYPE 1 'LOGARITHMIC1' 37 STRING Y_LABELS 0 '' 38 STRING FOR 0 'DISPLAYING BONDING LABELLING' 39 STRING SPHERE_CENTER 2 'undefined' undefined 40 STRING CAPTION_TEXT 1 'undefined' 41 STRING PRINT_TEXT 1 'undefined' 42 STRING LABEL_STYLE 0 'RESIDUE_TYPE1 RESIDUE_NUMBER' 43 STRING SELECTION_SEGMENT 2 'X' 'X' 44 STRING RES_TYPE 1 'ALL' 45 STRING ATOM_TYPE 1 'ALL' 46 STRING BOND_TYPE 1 'COVALENT' 47 STRING SYMBOL 1 'LINE' # LINE | POINT | BAR 48 STRING DESCRIPTION 1 'description' 49 STRING POSTSCRIPT_TEXT 1 'description' 50 STRING Y_SCALE 1 'LEFT' 51 STRING SELECTION_SEARCH 1 'SEGMENT' # SEGMENT | SPHERE 52 STRING FROM 1 'ALL' # ALL DISPLAYING BONDING LABELLING 53 STRING SELECTION_STATUS 1 'INITIALIZE' # REMOVE ADD 54 STRING FIT_MODEL 1 'POLYNOMIAL' # EXPONENTIAL NORMAL LOGNORMAL LOGARITHMIC POLYGAUSS 55 STRING PRINT_MODE 1 'XY' # XY | POINT 56 STRING PDB_FORMAT 1 'PDB' # PDB | XYZ 57 STRING SHUFFLE_OPERATION 1 'TRANSPOSE' # REVERT_X, REVERT_Y 58 STRING DPLOT_ORIENTATION 1 'XY' # YX 59 STRING STAMP_TEXT 1 'DEFAULT' # NONE | text of your choice 60 STRING LINE2D_WIDTH_SCALING 1 'Y' # 'X' | 'Y' 61 STRING COORDINATES 1 'WORLD' # 'WORLD' | 'PLOT' 62 STRING ERROR_SIGN 1 'UP DOWN' # 'UP' | 'UP DOWN' | 'DOWN' 63 STRING COLOR_STYLE 1 'GRAY' # (GRAY BLACK) 31 LOGICAL PERSPECTIVE 1 OFF # 32 LOGICAL ADD_DATA 2 OFF OFF 33 LOGICAL BAR_LEGEND 1 ON # 34 LOGICAL NUMBER_DENSITY_PLOT 1 OFF 35 LOGICAL DPLOT_FORMAT 1 OFF 36 LOGICAL DPLOT_SYMMETRIZE 1 OFF 37 LOGICAL A4_WINDOW_MARGIN 1 OFF 38 LOGICAL ADD_BONDS 1 ON 39 LOGICAL EXPONENT 1 OFF 40 LOGICAL FIT_WORLD 1 OFF 41 LOGICAL CLIP 1 ON 42 LOGICAL STANDARD_ERROR 1 OFF --- END OF FILE